ethyl 2-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylethanoate Openeye Name: ethyl 2-[2-cyano-5-(1,1-dimethylpropyl)cyclohexyl]sulfanylacetate CAS Name: 2-[[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylacetate Traditional Name: 2-[(5-tert-amyl-2-cyano-cyclohexyl)thio]acetic acid ethyl ester Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)SCC(=O)OCC)C#N

Isomeric SMILES

CCC(C)(C)C1CCC(C(C1)SCC(=O)OCC)C#N

InChI

InChI=1S/C16H27NO2S/c1-5-16(3,4)13-8-7-12(10-17)14(9-13)20-11-15(18)19-6-2/h12-14H,5-9,11H2,1-4H3